4-amino-3-phenylbutanoic acid

Basic Information

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CAS Number

1078-21-3

Molecular Formula

C10H13NO2

Molecular Weight

179.22 g/mol

EINECS

214-079-6

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

194-202°C

Boiling Point

311.75°C (rough estimate)

Density

1.1248 (rough estimate)

Refractive Index

1.5710 (estimate)

SMILES

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C1=CC=C(C=C1)C(CC(=O)O)CN

InChI

InChI=1S/C10H13NO2/c11-7-9(6-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)

InChIKey

DAFOCGYVTAOKAJ-UHFFFAOYSA-N

LogP

1.2035999999999998

pKa

4.10±0.10(Predicted)

Topological Polar Surface Area

63.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

164

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Toxicity

TDLo orl-hmn: 5 mg/kg:CNS BEXBAN 57,52,64

Synonyms & References

English

Oprea1_183000
(+/-)-FENIBUT
NS00018243
(+/-)-.BETA.-PHENYL-GABA
T2M58D6LA8
4-Amino-3-phenylbutanoic acid
GS-3145
.BETA.-PHENYL-.GAMMA.-AMINOBUTYRIC ACID
D10509
EINECS 214-079-6
3-phenyl-4-aminobutanoic acid
beta-(Aminomethyl)benzenepropanoic acid
HMS3886K05
Phenigama
PHENIBUT [WHO-DD]
3-[3-(Aminomethyl)phenyl]propionic acid
4-Amino-3-pheny-butyric acid
Fenibut
Phenibut
UNII-T2M58D6LA8
Benzenepropanoic acid, b-(aminomethyl)-
PhGaba
phenigamma
DTXSID70870838
beta-Phenyl-gamma-aminobutyric acid
Phenigam
1078-21-3
.BETA.-(AMINOMETHYL)BENZENEPROPANOIC ACID
BCP10710
EN300-110013
CCG-266416

MDL Number

MFCD00456233

EC Number

214-079-6

Customs Code

2922499990

FAQ

What is 4-amino-3-phenylbutanoic acid (CAS: 1078-21-3)?

4-Amino-3-phenylbutanoic acid (CAS: 1078-21-3) is an organic compound with the chemical formula C10H13NO2. It is a white crystalline solid that is soluble in water and polar solvents. This molecule contains an amino group and a phenyl ring attached to a butanoic acid backbone, making it a versatile intermediate in chemical synthesis.

What are the main uses of 4-amino-3-phenylbutanoic acid (CAS: 1078-21-3)?

4-Amino-3-phenylbutanoic acid (CAS: 1078-21-3) is primarily used in pharmaceutical research as a precursor for drug development. It also finds applications in the synthesis of various organic compounds, including pharmaceutical intermediates and specialty chemicals. Its unique structure makes it valuable in the creation of bioactive molecules and functional materials.

Is 4-amino-3-phenylbutanoic acid (CAS: 1078-21-3) safe?

4-Amino-3-phenylbutanoic acid (CAS: 1078-21-3) is generally considered safe when handled properly. However, it should be treated with care, as it may cause skin and eye irritation. Safety data sheets recommend using appropriate personal protective equipment (PPE) and ensuring good ventilation. It is not classified as highly toxic, but standard safety protocols should be followed in laboratory and industrial settings.

How should 4-amino-3-phenylbutanoic acid (CAS: 1078-21-3) be stored?

4-Amino-3-phenylbutanoic acid (CAS: 1078-21-3) should be stored in a cool, dry, and well-ventilated place, away from direct light. It is best kept in a sealed container to prevent moisture absorption. Storage conditions should maintain a temperature below 25°C and a relative humidity level below 60% to ensure stability and prolong shelf life.